Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Breakpoint cluster region protein/Tyrosine-protein kinase ABL1' and Ligand = 'BDBM50190674'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50190674 (CHEMBL3916487) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1nc(ncc1Br)N1CCOCC1 Show InChI InChI=1S/C19H24BrN5O3S/c1-15-2-4-16(5-3-15)29(26,27)25-8-6-23(7-9-25)18-17(20)14-21-19(22-18)24-10-12-28-13-11-24/h2-5,14H,6-13H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rallis India Limited Curated by ChEMBL					Assay Description Inhibition of BRC/ABL1 (unknown origin) after 40 mins by ADP-Glo assay				Eur J Med Chem 119: 70-82 (2016) Article DOI: 10.1016/j.ejmech.2016.04.056 BindingDB Entry DOI: 10.7270/Q2445PDS
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